HRID160315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7882

N-Methyltaurine

C3H9NO3S

HCID19660

Carbonate

CO3-2

结构：COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(OCCCCF)cc2)cc1

HCID21083137

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(OCCCCN(C)CCS(=O)(=O)O)cc2)cc1

HCID12993300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2d384b3f79b41a8877581853d893514
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH3:37][NH:38][CH2:39][CH2:40][S:41](=[O:42])(=[O:43])[OH:44].[CH3:51][OH:52].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH:11]2[C:12](=[O:35])[N:13]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][F:34])[cH:27][cH:28]3)[CH:14]2[c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[OH:36])[cH:6][cH:7]1.[K+:49].[K+:50].[OH2:53]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH:11]2[C:12](=[O:35])[N:13]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][N:38]([CH3:37])[CH2:39][CH2:40][S:41](=[O:42])(=[O:43])[OH:44])[cH:27][cH:28]3)[CH:14]2[c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[OH:36])[cH:6][cH:7]1